AB52191
36791-04-5 | Ribavirin
Manufacturer: A2B Chem
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CatalogNumber
AB52191
ChemicalName
Ribavirin
CasNumber
36791-04-5
MolecularFormula
C8H12N4O5
MolecularWeight
244.2047
MdlNumber
MFCD00058564
Smiles
OC[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc(n1)C(=O)N
NscNumber
758650
Complexity
304
Covalently-bondedUnitCount
1
DefinedAtomStereocenterCount
4
HeavyAtomCount
17
HydrogenBondAcceptorCount
7
HydrogenBondDonorCount
4
RotatableBondCount
3
Xlogp3
-1.8
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CatalogNumber: AB52191
ChemicalName: Ribavirin
CasNumber: 36791-04-5
MolecularFormula: C8H12N4O5
MolecularWeight: 244.2047
MdlNumber: MFCD00058564
Smiles: OC[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc(n1)C(=O)N
NscNumber: 758650
Complexity: 304
Covalently-bondedUnitCount: 1
DefinedAtomStereocenterCount: 4
HeavyAtomCount: 17
HydrogenBondAcceptorCount: 7
HydrogenBondDonorCount: 4
RotatableBondCount: 3
Xlogp3: -1.8
CatalogNumber:
AB52191
ChemicalName:
Ribavirin
CasNumber:
36791-04-5
MolecularFormula:
C8H12N4O5
MolecularWeight:
244.2047
MdlNumber:
MFCD00058564
Smiles:
OC[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc(n1)C(=O)N
NscNumber:
758650
Complexity:
304
Covalently-bondedUnitCount:
1
DefinedAtomStereocenterCount:
4
HeavyAtomCount:
17
HydrogenBondAcceptorCount:
7
HydrogenBondDonorCount:
4
RotatableBondCount:
3
Xlogp3:
-1.8
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: COC(=O)[C@@H]1CCC[C@]2([C@@H]1CCc1c2cc(c(c1)C(C)C)S(=O)(=O)[O-])C.[Na+]
NscNumber: __
Complexity: 672
Covalently-bondedUnitCount: __
DefinedAtomStereocenterCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
COC(=O)[C@@H]1CCC[C@]2([C@@H]1CCc1c2cc(c(c1)C(C)C)S(=O)(=O)[O-])C.[Na+]
NscNumber:
__
Complexity:
672
Covalently-bondedUnitCount:
__
DefinedAtomStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: C=CC(=O)Nc1cccc(c1)Nc1nc(ncc1C(F)(F)F)Nc1ccc(cc1OC)N1CCN(CC1)C(=O)C
NscNumber: __
Complexity: 871
Covalently-bondedUnitCount: __
DefinedAtomStereocenterCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: 4
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
C=CC(=O)Nc1cccc(c1)Nc1nc(ncc1C(F)(F)F)Nc1ccc(cc1OC)N1CCN(CC1)C(=O)C
NscNumber:
__
Complexity:
871
Covalently-bondedUnitCount:
__
DefinedAtomStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
4
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: O=C(Nc1ccc(cc1)[N+](=O)[O-])Nc1ccc(cc1)[N+](=O)[O-].Cc1cc(C)[nH]c(=O)n1
NscNumber: __
Complexity: __
Covalently-bondedUnitCount: __
DefinedAtomStereocenterCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
O=C(Nc1ccc(cc1)[N+](=O)[O-])Nc1ccc(cc1)[N+](=O)[O-].Cc1cc(C)[nH]c(=O)n1
NscNumber:
__
Complexity:
__
Covalently-bondedUnitCount:
__
DefinedAtomStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__